[4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine

C13H21N3 — CID 83858562

IUPAC[4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine
SMILESCc1ncnc(C2CCC(CN)CC2)c1C
InChIInChI=1S/C13H21N3/c1-9-10(2)15-8-16-13(9)12-5-3-11(7-14)4-6-12/h8,11-12H,3-7,14H2,1-2H3
InChIKeyQSBZVYJXMBZXBQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.33
Rot. Bonds2

About [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine

[4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine (PubChem CID 83858562) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine
PubChem CID83858562
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine
SMILESCc1ncnc(C2CCC(CN)CC2)c1C
InChIInChI=1S/C13H21N3/c1-9-10(2)15-8-16-13(9)12-5-3-11(7-14)4-6-12/h8,11-12H,3-7,14H2,1-2H3
InChIKeyQSBZVYJXMBZXBQ-UHFFFAOYSA-N
XLogP2.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine (CID 83858562) is [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine is Cc1ncnc(C2CCC(CN)CC2)c1C.
What is the InChIKey of [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine?
The InChIKey is QSBZVYJXMBZXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-10(2)15-8-16-13(9)12-5-3-11(7-14)4-6-12/h8,11-12H,3-7,14H2,1-2H3.
What are the key properties of [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine?
[4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 83858562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).